Geometry & MOs

Info

ID:	270855
PubChem CID:	103638441
Reduced:	SF2N2O3C11H14 (1)
Stoich.:	AB2C2D3E11F14 (1)
Weight, g/mol:	407.95264
ΔH_f, kcal/mol:	-198.22
Dipole, Da:	1.45
IP(EA), eV:	-10.11(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-iodophenyl)isoquinoline-1-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NCCCNC(=O)C1=C(C(=CC=C1)F)F

DOS

IR

Vibrations